Data Category pdbx_validate_chiral

General

Category name
pdbx_validate_chiral
Required in PDB entries
no
Category group membership
pdbx_group  validate_group
Used in current PDB entries
Yes, in about 4.5 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description

    Data items in the PDBX_VALIDATE_CHIRAL category list the
    residues that contain unexpected configuration of chiral
    centers.
     IMPROPER   HA  N   C   CB   chirality CA
     IMPROPER   HB1 HB2 CA  CG   stereo CB
     as this number approaches (+) or (-) 180.0, then the
     error in predicting the true chirality of the center increases.
     Improper dihedrals are a measure of the chirality/planarity of the
     structure at a specific atom. Values around -35 or +35 are expected
     for chiral atoms, and values around 0 for planar atoms.
     HERE improper C---N----CA---CB done
     expected answer is around -120 mean -122.52
      D-amino acid is +120.0

Category Example

 
loop_
_pdbx_validate_chiral.id
_pdbx_validate_chiral.PDB_model_num
_pdbx_validate_chiral.auth_comp_id
_pdbx_validate_chiral.auth_asym_id
_pdbx_validate_chiral.auth_seq_id
_pdbx_validate_chiral.PDB_ins_code
_pdbx_validate_chiral.details
_pdbx_validate_chiral.omega
  1    0 B ASP   405 .  ALPHA-CARBON   150.48